Crystallography Open Database

Information card for entry 4346660

Preview

Coordinates	4346660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Mn2 O8 S2
Calculated formula	C14 H14 Mn2 O8 S2
SMILES	C(#[O])[Mn]1(C#[O])([S](CCC)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[S]1CCC)(C#[O])C#[O]
Title of publication	CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.
Authors of publication	Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	1
Pages of publication	104 - 113
a	8.4275 ± 0.0001 Å
b	10.7512 ± 0.0002 Å
c	10.5321 ± 0.0002 Å
α	90°
β	94.714 ± 0.001°
γ	90°
Cell volume	951.04 ± 0.03 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.016
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231911 (current)	2019-11-23	cif/ Adding structures of 4346660, 4346661, 4346662 via cif-deposit CGI script.	4346660.cif